diethyl-[2-[2-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylcarbonylamino)benzimidazol-1-yl]ethyl]azanium

Systemtic Name: diethyl-[2-[2-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylcarbonylamino)benzimidazol-1-yl]ethyl]azanium Openeye Name: diethyl-[2-[2-(4,5,6,7-tetrahydrobenzothiophene-3-carbonylamino)benzimidazol-1-yl]ethyl]ammonium CAS Name: diethyl-[2-[2-[[oxo(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]amino]-1-benzimidazolyl]ethyl]ammonium IUPAC Name: diethyl-[2-[2-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)benzimidazol-1-yl]ethyl]azanium Traditional Name: diethyl-[2-[2-(4,5,6,7-tetrahydrobenzothiophene-3-carbonylamino)benzimidazol-1-yl]ethyl]ammonium Formula: C22H29N4OS+ MolecularWeight: 397.55686

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C2=CC=CC=C2N=C1NC(=O)C3=CSC4=C3CCCC4

Isomeric SMILES

CC[NH+](CC)CCN1C2=CC=CC=C2N=C1NC(=O)C3=CSC4=C3CCCC4

InChI

InChI=1S/C22H28N4OS/c1-3-25(4-2)13-14-26-19-11-7-6-10-18(19)23-22(26)24-21(27)17-15-28-20-12-8-5-9-16(17)20/h6-7,10-11,15H,3-5,8-9,12-14H2,1-2H3,(H,23,24,27)/p+1